Publication Date:
2016-08-11
Description:
Author(s): A. Ektarawong, S. I. Simak, and B. Alling We investigate the thermodynamic stability of carbon-rich icosahedral boron carbide at different compositions, ranging from B 4 C to B 2 C , using first-principles calculations. Apart from B 4 C , generally addressed in the literature, B 2.5 C , represented by B 10 C 2 p (C-C), where C p and (C-C) denote a carbon at… [Phys. Rev. B 94, 054104] Published Wed Aug 10, 2016
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics